(5-{[4-(2-Hydroxyethyl)-1-piperazinyl]methyl}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
[CAS# 913388-61-1]

Identification

• Name: (5-{[4-(2-Hydroxyethyl)-1-piperazinyl]methyl}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₂₀H₃₀BN₃O₅
• Molecular Weight: 403.28
• CAS Registry Number: 913388-61-1
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)CN3CCN(CC3)CCO)(O)O
• InChI: 1S/C20H30BN3O5/c1-20(2,3)29-19(26)24-17-5-4-15(12-16(17)13-18(24)21(27)28)14-23-8-6-22(7-9-23)10-11-25/h4-5,12-13,25,27-28H,6-11,14H2,1-3H3
• InChIKey: MCXMWVZFHCYQED-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 607.884°C at 760 mmHg (Cal.)
• Flash point: 321.437°C (Cal.)
• Refractive index: 1.583 (Cal.)